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Crystal structure and Hirshfeld surface analysis of 1-[(benzyl­dimethyl­sil­yl)meth­yl]-1-ethyl­piperidin-1-ium ethane­sulfonate

The title mol­ecular salt, C(17)H(30)NSi(+)·C(2)H(5)O(4)S(−), belongs to the class of a-amino­silanes and was synthesized by the alkyl­ation of 1-[(benzyl­dimethyl­sil­yl)meth­yl]piperidine using diethyl sulfate. This achiral salt crystallizes in the chiral space group P2(1). One of the Si—C bonds i...

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Detalles Bibliográficos
Autores principales: Kirchhoff, Jan-Lukas, Koller, Stephan G., Louven, Kathrin, Strohmann, Carsten
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8819452/
https://www.ncbi.nlm.nih.gov/pubmed/35145739
http://dx.doi.org/10.1107/S205698902101361X
Descripción
Sumario:The title mol­ecular salt, C(17)H(30)NSi(+)·C(2)H(5)O(4)S(−), belongs to the class of a-amino­silanes and was synthesized by the alkyl­ation of 1-[(benzyl­dimethyl­sil­yl)meth­yl]piperidine using diethyl sulfate. This achiral salt crystallizes in the chiral space group P2(1). One of the Si—C bonds in the cation is unusually long [1.9075 (12) Å], which correlates with the adjacent quaternary N(+) atom and was verified by quantum chemical calculations. In the crystal, the components are linked by weak C—H⋯O hydrogen bonds: a Hirshfeld surface analysis was performed to further investigate these inter­molecular inter­actions and their effects on the crystal packing.